5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide

C13H11ClINOS — CID 52589331

IUPAC5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C13H11ClINOS/c1-8-4-5-18-12(8)7-16-13(17)10-6-9(14)2-3-11(10)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyLNDMEMRURJGCDY-UHFFFAOYSA-N
MW391.66 g/mol
LogP4.24
Rot. Bonds3

About 5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide

5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 52589331) has the molecular formula C13H11ClINOS and a molecular weight of 391.66 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID52589331
Molecular FormulaC13H11ClINOS
Molecular Weight391.66 g/mol
Exact Mass390.93
IUPAC Name5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C13H11ClINOS/c1-8-4-5-18-12(8)7-16-13(17)10-6-9(14)2-3-11(10)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyLNDMEMRURJGCDY-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.66
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113231985
5-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 113225215
5-chloro-2-iodo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227109
5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 79012096
4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 78984714
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077
2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 32986981
5-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-iodobenzamide
CID 114033134
5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 49082320
5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114924109
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528
4-[[(5-chloro-2-iodobenzoyl)amino]methyl]benzoic acid
CID 103790087

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 52589331) is 5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccsc1CNC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is LNDMEMRURJGCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINOS/c1-8-4-5-18-12(8)7-16-13(17)10-6-9(14)2-3-11(10)15/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide?
5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 391.66 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 52589331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).